6-[2-(4,5-dihydro-1,3-oxazol-2-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one

C14H14N2O3 — CID 116826300

IUPAC6-[2-(4,5-dihydro-1,3-oxazol-2-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)CC3=NCCO3)ccc2N1
InChIInChI=1S/C14H14N2O3/c17-12(8-14-15-5-6-19-14)10-1-3-11-9(7-10)2-4-13(18)16-11/h1,3,7H,2,4-6,8H2,(H,16,18)
InChIKeyXTEVFRPWFVKGTC-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.57
Rot. Bonds3

About 6-[2-(4,5-dihydro-1,3-oxazol-2-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one

6-[2-(4,5-dihydro-1,3-oxazol-2-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 116826300) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-[2-(4,5-dihydro-1,3-oxazol-2-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(4,5-dihydro-1,3-oxazol-2-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID116826300
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name6-[2-(4,5-dihydro-1,3-oxazol-2-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)CC3=NCCO3)ccc2N1
InChIInChI=1S/C14H14N2O3/c17-12(8-14-15-5-6-19-14)10-1-3-11-9(7-10)2-4-13(18)16-11/h1,3,7H,2,4-6,8H2,(H,16,18)
InChIKeyXTEVFRPWFVKGTC-UHFFFAOYSA-N
XLogP1.57
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826276
6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one
CID 116833046
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826329
6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915723
2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid
CID 82485450
6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915592
6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one
CID 2801269
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 79985526
6-[4-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]butanoyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 13064836
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103136
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4,5-dihydro-1,3-oxazol-2-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(4,5-dihydro-1,3-oxazol-2-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one (CID 116826300) is 6-[2-(4,5-dihydro-1,3-oxazol-2-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(4,5-dihydro-1,3-oxazol-2-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(4,5-dihydro-1,3-oxazol-2-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)CC3=NCCO3)ccc2N1.
What is the InChIKey of 6-[2-(4,5-dihydro-1,3-oxazol-2-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XTEVFRPWFVKGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-12(8-14-15-5-6-19-14)10-1-3-11-9(7-10)2-4-13(18)16-11/h1,3,7H,2,4-6,8H2,(H,16,18).
What are the key properties of 6-[2-(4,5-dihydro-1,3-oxazol-2-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(4,5-dihydro-1,3-oxazol-2-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 258.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4,5-dihydro-1,3-oxazol-2-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 116826300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).